9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole

C48H28N2S2 — CID 90294485

IUPAC9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
SMILESc1ccc2c(c1)sc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc43)c12
InChIInChI=1S/C48H28N2S2/c1-5-15-37-31(11-1)35-27-29(23-25-39(35)49(37)41-17-9-21-45-47(41)33-13-3-7-19-43(33)51-45)30-24-26-40-36(28-30)32-12-2-6-16-38(32)50(40)42-18-10-22-46-48(42)34-14-4-8-20-44(34)52-46/h1-28H
InChIKeyFZEMOGLJCBDIQN-UHFFFAOYSA-N
MW696.90 g/mol
LogP14.28
Rot. Bonds3

About 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole

9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole (PubChem CID 90294485) has the molecular formula C48H28N2S2 and a molecular weight of 696.90 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
PubChem CID90294485
Molecular FormulaC48H28N2S2
Molecular Weight696.90 g/mol
Exact Mass696.17
IUPAC Name9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
SMILESc1ccc2c(c1)sc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc43)c12
InChIInChI=1S/C48H28N2S2/c1-5-15-37-31(11-1)35-27-29(23-25-39(35)49(37)41-17-9-21-45-47(41)33-13-3-7-19-43(33)51-45)30-24-26-40-36(28-30)32-12-2-6-16-38(32)50(40)42-18-10-22-46-48(42)34-14-4-8-20-44(34)52-46/h1-28H
InChIKeyFZEMOGLJCBDIQN-UHFFFAOYSA-N
XLogP14.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 90291697
3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
CID 129111753

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole?
The IUPAC name of 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole (CID 90294485) is 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole is c1ccc2c(c1)sc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)ccc43)c12.
What is the InChIKey of 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole?
The InChIKey is FZEMOGLJCBDIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S2/c1-5-15-37-31(11-1)35-27-29(23-25-39(35)49(37)41-17-9-21-45-47(41)33-13-3-7-19-43(33)51-45)30-24-26-40-36(28-30)32-12-2-6-16-38(32)50(40)42-18-10-22-46-48(42)34-14-4-8-20-44(34)52-46/h1-28H.
What are the key properties of 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole?
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole has a molecular weight of 696.90 g/mol, XLogP of 14.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 90294485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).